2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C55H38N6 — CID 58299195

About 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 58299195) has the molecular formula C55H38N6 and a molecular weight of 782.95 g/mol. Its IUPAC name is 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 58299195
• Molecular Formula: C55H38N6
• Molecular Weight: 782.95 g/mol
• Exact Mass: 782.32
• IUPAC Name: 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(Cc4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C55H38N6/c1-5-13-38(14-6-1)42-21-29-46(30-22-42)52-56-50(57-53(60-52)47-31-23-43(24-32-47)39-15-7-2-8-16-39)37-51-58-54(48-33-25-44(26-34-48)40-17-9-3-10-18-40)61-55(59-51)49-35-27-45(28-36-49)41-19-11-4-12-20-41/h1-36H,37H2
• InChIKey: SJNXBHOBOAPXKY-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.95
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 58299195) is 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(Cc4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.

What is the InChIKey of 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is SJNXBHOBOAPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N6/c1-5-13-38(14-6-1)42-21-29-46(30-22-42)52-56-50(57-53(60-52)47-31-23-43(24-32-47)39-15-7-2-8-16-39)37-51-58-54(48-33-25-44(26-34-48)40-17-9-3-10-18-40)61-55(59-51)49-35-27-45(28-36-49)41-19-11-4-12-20-41/h1-36H,37H2.

What are the key properties of 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?

2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 782.95 g/mol, XLogP of 12.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58299195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).